1-amino-N-(3-chloro-4-methoxyphenyl)-N-methylcyclohexane-1-carboxamide

C15H21ClN2O2 — CID 119337228

IUPAC1-amino-N-(3-chloro-4-methoxyphenyl)-N-methylcyclohexane-1-carboxamide
SMILESCOc1ccc(N(C)C(=O)C2(N)CCCCC2)cc1Cl
InChIInChI=1S/C15H21ClN2O2/c1-18(11-6-7-13(20-2)12(16)10-11)14(19)15(17)8-4-3-5-9-15/h6-7,10H,3-5,8-9,17H2,1-2H3
InChIKeyIUSGCCGHJFHAGL-UHFFFAOYSA-N
MW296.80 g/mol
LogP2.97
Rot. Bonds3

About 1-amino-N-(3-chloro-4-methoxyphenyl)-N-methylcyclohexane-1-carboxamide

1-amino-N-(3-chloro-4-methoxyphenyl)-N-methylcyclohexane-1-carboxamide (PubChem CID 119337228) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 1-amino-N-(3-chloro-4-methoxyphenyl)-N-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-(3-chloro-4-methoxyphenyl)-N-methylcyclohexane-1-carboxamide
PubChem CID119337228
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name1-amino-N-(3-chloro-4-methoxyphenyl)-N-methylcyclohexane-1-carboxamide
SMILESCOc1ccc(N(C)C(=O)C2(N)CCCCC2)cc1Cl
InChIInChI=1S/C15H21ClN2O2/c1-18(11-6-7-13(20-2)12(16)10-11)14(19)15(17)8-4-3-5-9-15/h6-7,10H,3-5,8-9,17H2,1-2H3
InChIKeyIUSGCCGHJFHAGL-UHFFFAOYSA-N
XLogP2.97
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-(3-chloro-4-methoxyphenyl)-N-methylcyclopropane-1-carboxamide;hydrochloride
CID 119807505
1-(aminomethyl)-N-(3-chloro-4-methoxyphenyl)-N-methylcyclopropane-1-carboxamide
CID 115182589
4-[(3-chloro-4-methoxyphenyl)-methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120674248
3-amino-N-(3-chloro-4-methoxyphenyl)-N-methylcyclopentane-1-carboxamide;hydrochloride
CID 119807515
1-amino-N-methyl-N-(4-methylsulfanylphenyl)cyclohexane-1-carboxamide
CID 119320851
1-amino-N-methyl-N-phenylcyclopentane-1-carboxamide;hydrochloride
CID 119261831
2-amino-N-(3-chloro-4-methoxyphenyl)-3-hydroxy-N-methylpropanamide
CID 115179694
N-(3-chloro-4-methoxyphenyl)-N-methyl-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119337207
1-amino-N-(4-tert-butylphenyl)-N-methylcyclopentane-1-carboxamide;hydrochloride
CID 119302215
(1-aminocyclohexyl)-(5-chloro-2-methoxyphenyl)methanone
CID 116550581
1-amino-N-(4-cyanophenyl)-N-methylcyclopentane-1-carboxamide
CID 55141779
(3-chloro-4-methoxyphenyl)-(1-methylcyclohexyl)methanone
CID 106826559

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(3-chloro-4-methoxyphenyl)-N-methylcyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-(3-chloro-4-methoxyphenyl)-N-methylcyclohexane-1-carboxamide (CID 119337228) is 1-amino-N-(3-chloro-4-methoxyphenyl)-N-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-(3-chloro-4-methoxyphenyl)-N-methylcyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-(3-chloro-4-methoxyphenyl)-N-methylcyclohexane-1-carboxamide is COc1ccc(N(C)C(=O)C2(N)CCCCC2)cc1Cl.
What is the InChIKey of 1-amino-N-(3-chloro-4-methoxyphenyl)-N-methylcyclohexane-1-carboxamide?
The InChIKey is IUSGCCGHJFHAGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-18(11-6-7-13(20-2)12(16)10-11)14(19)15(17)8-4-3-5-9-15/h6-7,10H,3-5,8-9,17H2,1-2H3.
What are the key properties of 1-amino-N-(3-chloro-4-methoxyphenyl)-N-methylcyclohexane-1-carboxamide?
1-amino-N-(3-chloro-4-methoxyphenyl)-N-methylcyclohexane-1-carboxamide has a molecular weight of 296.80 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(3-chloro-4-methoxyphenyl)-N-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 119337228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).